4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one

C17H32N2O — CID 170065017

IUPAC4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
SMILESCCCN1CCC2(CC1)CN(C(=O)CCC(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-5-10-18-11-8-17(9-12-18)13-19(14-17)15(20)6-7-16(2,3)4/h5-14H2,1-4H3
InChIKeySHVNWRXLYWYAMF-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds4

About 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one

4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one (PubChem CID 170065017) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
PubChem CID170065017
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
SMILESCCCN1CCC2(CC1)CN(C(=O)CCC(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-5-10-18-11-8-17(9-12-18)13-19(14-17)15(20)6-7-16(2,3)4/h5-14H2,1-4H3
InChIKeySHVNWRXLYWYAMF-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
CID 166800698
ethane;1-(7-propyl-2,7-diazaspiro[4.4]nonan-2-yl)ethanone
CID 176558517
1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
CID 176934433
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl) hydrogen carbonate
CID 68898383
2-(4-chlorophenyl)-1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408659
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
1-(4,4-dimethylpentanoyl)-4-methylpiperidine-4-carboxylic acid
CID 113354340
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 60849525

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one (CID 170065017) is 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one is CCCN1CCC2(CC1)CN(C(=O)CCC(C)(C)C)C2.
What is the InChIKey of 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one?
The InChIKey is SHVNWRXLYWYAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-10-18-11-8-17(9-12-18)13-19(14-17)15(20)6-7-16(2,3)4/h5-14H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one?
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one is sourced from PubChem (CID 170065017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).